4-[[3-(dimethylamino)propyl-ethylamino]methyl]-N'-hydroxybenzenecarboximidamide

C15H26N4O — CID 102993661

IUPAC4-[[3-(dimethylamino)propyl-ethylamino]methyl]-N'-hydroxybenzenecarboximidamide
SMILESCCN(CCCN(C)C)Cc1ccc(/C(N)=N/O)cc1
InChIInChI=1S/C15H26N4O/c1-4-19(11-5-10-18(2)3)12-13-6-8-14(9-7-13)15(16)17-20/h6-9,20H,4-5,10-12H2,1-3H3,(H2,16,17)
InChIKeyRKSIKYLFYBPCQG-UHFFFAOYSA-N
MW278.40 g/mol
LogP1.55
Rot. Bonds8

About 4-[[3-(dimethylamino)propyl-ethylamino]methyl]-N'-hydroxybenzenecarboximidamide

4-[[3-(dimethylamino)propyl-ethylamino]methyl]-N'-hydroxybenzenecarboximidamide (PubChem CID 102993661) has the molecular formula C15H26N4O and a molecular weight of 278.40 g/mol. Its IUPAC name is 4-[[3-(dimethylamino)propyl-ethylamino]methyl]-N'-hydroxybenzenecarboximidamide.

Molecular Properties

Compound Name4-[[3-(dimethylamino)propyl-ethylamino]methyl]-N'-hydroxybenzenecarboximidamide
PubChem CID102993661
Molecular FormulaC15H26N4O
Molecular Weight278.40 g/mol
Exact Mass278.21
IUPAC Name4-[[3-(dimethylamino)propyl-ethylamino]methyl]-N'-hydroxybenzenecarboximidamide
SMILESCCN(CCCN(C)C)Cc1ccc(/C(N)=N/O)cc1
InChIInChI=1S/C15H26N4O/c1-4-19(11-5-10-18(2)3)12-13-6-8-14(9-7-13)15(16)17-20/h6-9,20H,4-5,10-12H2,1-3H3,(H2,16,17)
InChIKeyRKSIKYLFYBPCQG-UHFFFAOYSA-N
XLogP1.55
TPSA65.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-[[ethyl(methyl)amino]methyl]-N'-hydroxybenzenecarboximidamide
CID 43263456
4-[[3-(dimethylamino)propylamino]methyl]-N'-hydroxybenzenecarboximidamide
CID 77029990
6-[3-(dimethylamino)propyl-ethylamino]-N'-hydroxypyridine-3-carboximidamide
CID 102993616
N'-ethyl-N,N-dimethyl-N'-[[4-[(propan-2-ylamino)methyl]phenyl]methyl]propane-1,3-diamine
CID 102997517
N'-[[4-[(cyclopropylamino)methyl]phenyl]methyl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine
CID 102997477
N'-hydroxy-4-[[methyl(1-methylsulfanylpropan-2-yl)amino]methyl]benzenecarboximidamide
CID 112660110
4-[[3-(dimethylamino)propyl-methylamino]methyl]-N'-hydroxy-3-methylbenzenecarboximidamide
CID 114482608
4-butyl-N'-hydroxybenzenecarboximidamide
CID 7018220
2-[ethyl-[(4-ethylphenyl)methyl]amino]-N'-hydroxyethanimidamide
CID 76929902
4-[[1-(diethylamino)propan-2-ylamino]methyl]-N'-hydroxybenzenecarboximidamide
CID 77032034
4-[[3-(dimethylamino)propyl-methylamino]methyl]benzenecarboximidamide
CID 63694374
4-[(N-ethyl-2-fluoroanilino)methyl]-N'-hydroxybenzenecarboximidamide
CID 76931366

Frequently Asked Questions

What is the IUPAC name of 4-[[3-(dimethylamino)propyl-ethylamino]methyl]-N'-hydroxybenzenecarboximidamide?
The IUPAC name of 4-[[3-(dimethylamino)propyl-ethylamino]methyl]-N'-hydroxybenzenecarboximidamide (CID 102993661) is 4-[[3-(dimethylamino)propyl-ethylamino]methyl]-N'-hydroxybenzenecarboximidamide.
What is the SMILES notation for 4-[[3-(dimethylamino)propyl-ethylamino]methyl]-N'-hydroxybenzenecarboximidamide?
The canonical SMILES for 4-[[3-(dimethylamino)propyl-ethylamino]methyl]-N'-hydroxybenzenecarboximidamide is CCN(CCCN(C)C)Cc1ccc(/C(N)=N/O)cc1.
What is the InChIKey of 4-[[3-(dimethylamino)propyl-ethylamino]methyl]-N'-hydroxybenzenecarboximidamide?
The InChIKey is RKSIKYLFYBPCQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O/c1-4-19(11-5-10-18(2)3)12-13-6-8-14(9-7-13)15(16)17-20/h6-9,20H,4-5,10-12H2,1-3H3,(H2,16,17).
What are the key properties of 4-[[3-(dimethylamino)propyl-ethylamino]methyl]-N'-hydroxybenzenecarboximidamide?
4-[[3-(dimethylamino)propyl-ethylamino]methyl]-N'-hydroxybenzenecarboximidamide has a molecular weight of 278.40 g/mol, XLogP of 1.55, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-(dimethylamino)propyl-ethylamino]methyl]-N'-hydroxybenzenecarboximidamide is sourced from PubChem (CID 102993661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).